CID 10930068

(2s)-eriodictyol 7-o-(6''-o-galloyl)-beta-d-glucopyranoside

Structural Information

Molecular Formula
C28H26O15
SMILES
C1[C@H](OC2=CC(=CC(=C2C1=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O)C5=CC(=C(C=C5)O)O
InChI
InChI=1S/C28H26O15/c29-13-2-1-10(3-14(13)30)19-8-16(32)22-15(31)6-12(7-20(22)42-19)41-28-26(38)25(37)24(36)21(43-28)9-40-27(39)11-4-17(33)23(35)18(34)5-11/h1-7,19,21,24-26,28-31,33-38H,8-9H2/t19-,21+,24+,25-,26+,28+/m0/s1
InChIKey
SHPCBRSOJXQRDY-RKLFNRSMSA-N
Compound name
[(2R,3S,4S,5R,6S)-6-[[(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

602.1272 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 603.13448 233.4
[M+Na]+ 625.11642 238.0
[M-H]- 601.11992 230.3
[M+NH4]+ 620.16102 235.2
[M+K]+ 641.09036 232.4
[M+H-H2O]+ 585.12446 222.9
[M+HCOO]- 647.12540 237.2
[M+CH3COO]- 661.14105 241.3
[M+Na-2H]- 623.10187 255.8
[M]+ 602.12665 245.6
[M]- 602.12775 245.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.